Strong Correlation Effects in inner Valence Ionization of N2 AND CO

J. Schirmer, L. S. Cederbaum, W. Domcke, W. von Niessen

Publikation: Beitrag in FachzeitschriftArtikelBegutachtung

129 Zitate (Scopus)

Abstract

The results of many-body calculations of the valence and inner-valence ionization potentials and their intensities are reported for N2 and CO. For N2 we find that the 2σg line is smashed to several pieces of roughly equal intensity. It is not possible to identify any of these lines as the ǒmainǒ line representing the ionization of a 2Ug electron and the remaining ones as satellite lines. For CO there survives a line which carries about half of the 3e intensity and which can be interpreted to represent the ionization of an electron out of the 3σ orbital. The results explain the peculiar shape of the broad innervalence peaks of N2 and CO. For both N2 and CO rich satellite structure is found in qualitative agreement with experimental X-ray photoelectron spectra.

OriginalspracheEnglisch
Seiten (von - bis)149-153
Seitenumfang5
FachzeitschriftChemical Physics
Jahrgang26
Ausgabenummer1
DOIs
PublikationsstatusVeröffentlicht - 9 Nov. 1977
Extern publiziertJa

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